SCHEMBL2327296

SCHEMBL2327296

Cc1nccn2c(C3CN(C(=O)OCc4ccccc4)C3)ncc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
CHRM4 P08173 1/20 0.42
GRIN2B Q13224 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP2C19 P33261 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2322885 0.90 SMN1; SMN2 (0.50) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL2323323 0.88 OPRD1 (0.43) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL2321173 0.85 GRIN2B (0.43) CHRM4GRIN2BSMN1; SMN2NPC1RAB9A
SCHEMBL2321177 0.85 GRIN2B (0.43) CHRM4GRIN2BSMN1; SMN2NPC1RAB9A
SCHEMBL14654705 0.82 BTK (0.46)
SCHEMBL14654695 0.82 TMEM97 (0.47)
SCHEMBL2327196 0.81 JAK2 (0.44) JAK2JAK1CHRM4GRIN2BSMN1; SMN2
SCHEMBL21050978 0.81 SMN1; SMN2 (0.46) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL28938318 0.81 SMN1; SMN2 (0.46) JAK2JAK1GRIN2BSMN1; SMN2NPC1
SCHEMBL2324484 0.80 PDE1C (0.35)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534151-B1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MERCK SHARP & DOHME (NL) 2018-11-14 EP disclosed
US-8658794-B2 8-methyl-1-phenyl-imidazol[1,5-a]pyrazine compounds as Lck inhibitors and uses thereof MERCK SHARP & DOHME B.V. (NL) 2014-02-25 US disclosed
EP-2534151-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS MSD Oss B.V. (NL) 2012-12-19 EP disclosed
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2012-12-06 US disclosed
WO-2011095556-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS N.V. ORGANON (NL) 2011-08-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120309966-A1 8-METHYL-1-PHENYL-IMIDAZOL[1,5-A]PYRAZINE COMPOUNDS LCK, ZAP70, FYN JAK2 155/4885JAK1 121/4885CHRM4 1563/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.